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000001-C13H18O2

This directory contains calculations for the molecule C13H18O2. The following stages are included:

  • 00-HF: Hartree-Fock theory calculations.

  • 01-VMC: Variational Monte Carlo simulations.

  • 02-optimization: Optimization of molecular structure.

  • 03-DMC: Diffusion Monte Carlo simulations.

  • common: Common resources for C13H18O2 calculations.